Geometry & MOs

Info

ID:	79659
PubChem CID:	49829885
Reduced:	SO3N5C19H24 (1)
Stoich.:	AB3C5D19E24 (1)
Weight, g/mol:	417.01855
ΔH_f, kcal/mol:	-36.69
Dipole, Da:	6.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.988415
Charge, e:	0

Chem-info

IUPAC name:

[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-amino-5-iodobenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C[NH+]2CCNC(=O)C2CC(=O)NCCC3=CN4C=CSC4=N3

DOS

IR

Vibrations